[23p-C101-1~12] 13.2 探索的材料物性・基礎物性

▲ [23p-C101-2] Study of discriminating between boron related defects in BaSi₂ by density functional
theory approach

〇(D)Yuguang Cao^1,2、Jean-Marie Mouesca²、Serge Gambarelli²、Takashi Suemasu¹ (1.Tsukuba Univ.、2.Grenoble Alpes Univ., CNRS, CEA, INAC-SyMMES)

キーワード：electron paramagnetic resonance, quantum espresso, hyperfine coupling constants